ML095 HCL (also known as MLS-0315848 HCL or CID-25067483 HCL) is a novel and potent PLAP(placental alkaline phosphatase) inhibitor. IC50 = 2.1 μM for PLAP, IC50>100 μM for TNAP and IC50 =53 μM for IAP.

Physicochemical Properties

Molecular Formula	C13H15CLN2O3
Molecular Weight	282.722802400589
Exact Mass	282.077
Elemental Analysis	C, 55.23; H, 5.35; Cl, 12.54; N, 9.91; O, 16.98
CAS #	1135318-57-8
Related CAS #	1135318-57-8 (HCl);
PubChem CID	25067483
Appearance	Solid powder
LogP	0
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	19
Complexity	298
Defined Atom Stereocenter Count	0
SMILES	C(N1C=CN=C1CC)C(C1C=CC(O)=C(O)C=1)=O.Cl
InChi Key	VTSPJLHFXSMCCC-UHFFFAOYSA-N
InChi Code	InChI=1S/C13H14N2O3.ClH/c1-2-13-14-5-6-15(13)8-12(18)9-3-4-10(16)11(17)7-9;/h3-7,16-17H,2,8H2,1H3;1H
Chemical Name	1-(3,4-dihydroxyphenyl)-2-(2-ethylimidazol-1-yl)ethanone;hydrochloride
Synonyms	ML095 HCl; ML-095; ML 095; CID-25067483 hydrochloride; CID25067483; CID 25067483; MLS-0315848 hydrochloride; MLS 0315848; MLS0315848;
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro

The small molecule probe ML095 (CID-25067483) is a biochemical inhibitor of PLAP, and will be useful to elucidate the key biological functions and natural substrates of human PLAP.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~442.13 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.36 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (7.36 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.5371 mL	17.6853 mL	35.3707 mL
	5 mM	0.7074 mL	3.5371 mL	7.0741 mL
	10 mM	0.3537 mL	1.7685 mL	3.5371 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.